2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

C25H18ClN3O2S — CID 4104476

IUPAC2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESO=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O2S/c26-18-12-10-17(11-13-18)22(30)15-32-25-28-20-9-5-4-8-19(20)23-27-21(24(31)29(23)25)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKeyQPHHHOGZFGHYKP-UHFFFAOYSA-N
MW459.96 g/mol
LogP5.16
Rot. Bonds5

About 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 4104476) has the molecular formula C25H18ClN3O2S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID4104476
Molecular FormulaC25H18ClN3O2S
Molecular Weight459.96 g/mol
Exact Mass459.08
IUPAC Name2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESO=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O2S/c26-18-12-10-17(11-13-18)22(30)15-32-25-28-20-9-5-4-8-19(20)23-27-21(24(31)29(23)25)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKeyQPHHHOGZFGHYKP-UHFFFAOYSA-N
XLogP5.16
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one with MolForge

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Related Compounds

2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
CID 5181385
2-benzyl-5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104478
2-benzyl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 5190912
(2S)-2-benzyl-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92694429
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 92712162
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 20965581
2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4305426
2-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104479
2-[3-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
CID 46369711
2-[5-[(2-chlorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(2-phenylethyl)acetamide
CID 5172270
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 4104476) is 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is O=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)c1ccc(Cl)cc1.
What is the InChIKey of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is QPHHHOGZFGHYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2S/c26-18-12-10-17(11-13-18)22(30)15-32-25-28-20-9-5-4-8-19(20)23-27-21(24(31)29(23)25)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2.
What are the key properties of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 459.96 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 4104476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).